Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00147
2
0.00000
0.00000
0.00147
3
0.00000
0.00000
-0.00379
4
0.00000
0.00000
0.00976
5
0.00000
0.00000
-0.00976
6
0.00000
0.00000
0.00379
7
0.00000
0.00000
0.00414
8
0.00000
0.00000
-0.00730
9
0.00000
0.00000
0.00730
10
0.00000
0.00000
-0.00414
11
0.00000
0.00000
0.01062
12
0.00000
0.00000
-0.05076
13
0.00000
0.00000
0.05076
14
0.00000
0.00000
-0.01062
15
0.00000
0.00000
-0.04713
16
0.00000
0.00000
0.04713
17
0.00000
0.00000
0.01947
18
0.00000
0.00000
-0.01947
19
0.00000
0.00000
-0.05971
20
0.00000
0.00000
0.05971
21
0.00000
0.00000
0.02661
22
0.00000
0.00000
-0.02661
23
0.00000
0.00000
0.29096
24
0.00000
0.00000
-0.29096
25
0.00000
0.00000
-0.14021
26
0.00000
0.00000
0.14021
27
0.00000
0.00000
0.39033
28
0.00000
0.00000
-0.39033
29
0.00000
0.00000
-0.30716
30
0.00000
0.00000
0.30716
31
0.00000
0.00000
-0.02951
32
0.00000
0.00000
0.02951
33
0.00000
0.00000
-0.16790
34
0.00000
0.00000
0.16790